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Sr(BeN)2

Elasticity Data ELA

MP-ID: mp-11919 · Space group: I4/mcm (#140)

Basic Information

Formula
Sr(BeN)2
MP-ID
mp-11919
Elements
3
Sites
10
Density
3.7289
g/cm³
Volume
119.04
ų
Cell a
5.4815
Å
Cell b
5.4815
Å
Cell c
5.4815
Å
α Angle
92.70
°
β Angle
118.45
°
γ Angle
118.45
°
Space Group
I4/mcm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
22.42 3.9663 100.0 (0,1,-1)
23.51 3.7835 15.6 (1,-1,-1)
31.91 2.8046 20.4 (1,1,-1)
31.91 2.8046 20.4 (1,-1,1)
32.71 2.7377 36.0 (0,1,1)
32.71 2.7377 72.0 (1,0,-2)
32.71 2.7377 36.0 (2,-1,-1)
37.78 2.3811 1.8 (2,0,-1)
40.02 2.2531 20.8 (0,2,0)
40.02 2.2531 41.6 (0,0,2)
40.02 2.2531 20.8 (2,-2,0)
45.75 1.9831 24.4 (0,2,-2)
48.10 1.8918 17.8 (2,-2,-2)
51.52 1.7738 21.1 (1,2,-2)
51.52 1.7738 21.1 (1,-2,2)
52.07 1.7565 6.2 (1,1,1)
52.07 1.7565 12.5 (1,1,-3)
52.07 1.7565 6.2 (3,-1,-1)
53.68 1.7075 10.1 (1,-2,-2)
53.68 1.7075 10.1 (2,-1,-3)
57.37 1.6060 3.6 (1,2,0)
57.37 1.6060 3.6 (0,3,-1)
57.37 1.6060 17.8 (1,0,2)
57.37 1.6060 3.6 (3,-2,0)
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Energy Properties

Formation Energy/atom
-1.19797
eV/atom
Energy/atom
-6.36753
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-9.6562
eV/atom
Volume/atom
11.90
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Non-metal
Band Gap
1.854
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
104.820
GPa
GVRH
68.742
GPa
Young's Modulus E
169.231
GPa
Poisson Ratio ν
0.231
Pugh Ratio K/G
1.525
Vickers Hardness Est.
11.502
GPa
Ductility
Ductile
Anisotropy
2.009
Lame λ
58.992
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Be · 0.400
Element Family
Alkali-AlkEarth
Solute Fraction
0.600
Interstitial Fraction
0.400

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.0090
Homogeneous Poisson ν
0.2310
Debye Temperature
884.5
K
Sound Velocity
4,756.2
m/s
Homogeneity
0.2310

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-11919
Reference Citation

The crystal structure and related material properties of Sr(BeN)2 were obtained from the Materials Project database (MP-ID: mp-11919, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Sr(BeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48144557
_cell_length_b   5.48144700
_cell_length_c   5.48144607
_cell_angle_alpha   92.70189862
_cell_angle_beta   118.45251220
_cell_angle_gamma   118.45250236
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr(BeN)2
_chemical_formula_sum   'Sr2 Be4 N4'
_cell_volume   119.03913309
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  -0.00000000  0.75000000  0.75000000  1.0
  Sr  Sr1  1  -0.00000000  0.25000000  0.25000000  1.0
  Be  Be2  1  0.75331679  0.12665839  0.62665839  1.0
  Be  Be3  1  0.50000000  0.62665839  0.87334161  1.0
  Be  Be4  1  0.24668321  0.87334161  0.37334161  1.0
  Be  Be5  1  0.50000000  0.37334161  0.12665839  1.0
  N  N6  1  0.50000000  0.16808175  0.33191825  1.0
  N  N7  1  0.83616151  0.66808175  0.16808175  1.0
  N  N8  1  0.16383849  0.33191825  0.83191825  1.0
  N  N9  1  0.50000000  0.83191825  0.66808175  1.0
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